SCHEMBL9816222

SCHEMBL9816222

CCCCCCCCn1c(C)c(C(c2ccccc2C(=O)OC)c2c(C)n(CCCCCCCC)c3ccccc23)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 16/20 0.53
▸ CNR1 P21554 8/20 0.53
▸ KDM4E B2RXH2 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.47
▸ HTT P42858 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7188117 0.87 NR4A2 (0.48) KDM4EMAPK1NPSR1ALDH1A1HTT
SCHEMBL13043489 0.86 CNR2 (0.47) CNR2CNR1SLC6A3ALDH1A1HTT
SCHEMBL9657072 0.76 CNR2 (0.52) CNR2CNR1KDM4ESLC6A3
SCHEMBL9657145 0.75 PGR (0.54) CNR2CNR1KDM4ESLC6A3ALDH1A1
Perchlorate SCHEMBL9555251 0.74 CNR2 (0.49) CNR2CNR1KDM4EMAPK1NPSR1
SCHEMBL7187904 0.74 NR4A2 (0.38) KDM4EMAPK1NPSR1ALDH1A1HTT
SCHEMBL7181782 0.73 MAPT (0.38) KDM4EMAPK1NPSR1ALDH1A1HTT
SCHEMBL7193629 0.73 KDM4E (0.38) CNR2KDM4ENPSR1ALDH1A1HTT
SCHEMBL13140038 0.72 KDM4E (0.40) KDM4EMAPK1NPSR1ALDH1A1HTT
SCHEMBL7188506 0.71 GABRA1 (0.45) KDM4ENPSR1ALDH1A1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3120538-A — — None — — JP disclosed
JP-H03120538-A MATERIAL FOR FORMING OPTICAL IMAGE FUJI PHOTO FILM CO LTD 1991-05-22 — — JP disclosed
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